N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine

C13H24N4O — CID 112636277

IUPACN'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-4-9-17(10-5-7-14)13-15-8-6-12(16-13)18-11(2)3/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeySWGIIWLVUBOHIN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds8

About N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine

N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 112636277) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID112636277
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-4-9-17(10-5-7-14)13-15-8-6-12(16-13)18-11(2)3/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeySWGIIWLVUBOHIN-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 112636280
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N-(2-bromoethyl)-N-butyl-4-propoxypyrimidin-2-amine
CID 112639369
N-butyl-N-(2-chloroethyl)-4-ethoxypyrimidin-2-amine
CID 112639176
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine (CID 112636277) is N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1nccc(OC(C)C)n1.
What is the InChIKey of N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is SWGIIWLVUBOHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-9-17(10-5-7-14)13-15-8-6-12(16-13)18-11(2)3/h6,8,11H,4-5,7,9-10,14H2,1-3H3.
What are the key properties of N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 112636277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).